USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot 140:sc= -0.13 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0.00105 USER MOD Set 2.1: A 5 SER OG : rot 152:sc= 0.882 USER MOD Set 2.2: A 34 LYS NZ :NH3+ -175:sc= 0.992 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 178:sc= -0.136 (180deg=-0.149) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 164:sc= -0.079 (180deg=-0.441) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -170:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.274 K(o=-0.27,f=-1.4) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 24 THR OG1 : rot -24:sc= 0.168 USER MOD Single : A 25 SER OG : rot -40:sc= 0.162 USER MOD Single : A 28 ASN : amide:sc= -0.751 X(o=-0.75,f=-0.75) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00354 USER MOD Single : A 36 GLN : amide:sc= -2.46! C(o=-2.5!,f=-0.95!) USER MOD Single : A 37 SER OG : rot 94:sc= 0.0594 USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= 1.58 (180deg=-0.436) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00371) USER MOD Single : A 50 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.4!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -3.87! C(o=-3.9!,f=-2.2!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 98:sc= 1.32 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= -0.0219 (180deg=-0.24) USER MOD Single : A 80 SER OG : rot -43:sc= 0.481 USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= -0.865 (180deg=-1.45) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 15:sc= 0.902 USER MOD Single : A 92 SER OG : rot -33:sc= 0.395 USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= -0.123 (180deg=-0.603) USER MOD Single : A 98 SER OG : rot 67:sc= 1.26 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 146:sc= 1.15 (180deg=-0.777) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.218 6.585 6.271 1.00 0.00 N ATOM 2 CA GLY A 1 19.349 6.938 7.180 1.00 0.00 C ATOM 3 C GLY A 1 20.018 8.237 6.779 1.00 0.00 C ATOM 4 O GLY A 1 20.913 8.728 7.470 1.00 0.00 O ATOM 0 H1 GLY A 1 17.811 5.673 6.561 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.487 7.323 6.324 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.567 6.513 5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.980 7.021 8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.085 6.134 7.172 1.00 0.00 H new ATOM 7 N SER A 2 19.587 8.790 5.665 1.00 0.00 N ATOM 8 CA SER A 2 20.126 10.032 5.170 1.00 0.00 C ATOM 9 C SER A 2 18.990 10.976 4.814 1.00 0.00 C ATOM 10 O SER A 2 18.261 10.752 3.846 1.00 0.00 O ATOM 11 CB SER A 2 21.016 9.774 3.950 1.00 0.00 C ATOM 12 OG SER A 2 21.621 10.967 3.480 1.00 0.00 O ATOM 0 H SER A 2 18.854 8.389 5.080 1.00 0.00 H new ATOM 0 HA SER A 2 20.737 10.493 5.946 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.790 9.052 4.210 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.420 9.330 3.153 1.00 0.00 H new ATOM 0 HG SER A 2 22.182 10.765 2.703 1.00 0.00 H new ATOM 18 N MET A 3 18.826 12.014 5.607 1.00 0.00 N ATOM 19 CA MET A 3 17.765 12.967 5.380 1.00 0.00 C ATOM 20 C MET A 3 18.173 14.346 5.853 1.00 0.00 C ATOM 21 O MET A 3 18.672 14.510 6.974 1.00 0.00 O ATOM 22 CB MET A 3 16.483 12.521 6.091 1.00 0.00 C ATOM 23 CG MET A 3 15.285 13.423 5.829 1.00 0.00 C ATOM 24 SD MET A 3 14.888 13.560 4.070 1.00 0.00 S ATOM 25 CE MET A 3 14.503 11.852 3.669 1.00 0.00 C ATOM 0 H MET A 3 19.415 12.218 6.414 1.00 0.00 H new ATOM 0 HA MET A 3 17.573 13.013 4.308 1.00 0.00 H new ATOM 0 HB2 MET A 3 16.238 11.507 5.774 1.00 0.00 H new ATOM 0 HB3 MET A 3 16.669 12.484 7.164 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.418 13.034 6.364 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.488 14.416 6.230 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.974 11.812 2.717 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.427 11.279 3.595 1.00 0.00 H new ATOM 0 HE3 MET A 3 13.874 11.427 4.452 1.00 0.00 H new ATOM 35 N SER A 4 17.977 15.328 4.997 1.00 0.00 N ATOM 36 CA SER A 4 18.287 16.700 5.322 1.00 0.00 C ATOM 37 C SER A 4 17.043 17.399 5.863 1.00 0.00 C ATOM 38 O SER A 4 15.922 17.085 5.452 1.00 0.00 O ATOM 39 CB SER A 4 18.803 17.424 4.080 1.00 0.00 C ATOM 40 OG SER A 4 19.924 16.746 3.532 1.00 0.00 O ATOM 0 H SER A 4 17.599 15.195 4.059 1.00 0.00 H new ATOM 0 HA SER A 4 19.062 16.721 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 4 18.010 17.487 3.335 1.00 0.00 H new ATOM 0 HB3 SER A 4 19.081 18.446 4.338 1.00 0.00 H new ATOM 0 HG SER A 4 20.239 17.224 2.737 1.00 0.00 H new ATOM 46 N SER A 5 17.240 18.317 6.796 1.00 0.00 N ATOM 47 CA SER A 5 16.142 19.066 7.379 1.00 0.00 C ATOM 48 C SER A 5 15.450 19.923 6.320 1.00 0.00 C ATOM 49 O SER A 5 16.046 20.836 5.760 1.00 0.00 O ATOM 50 CB SER A 5 16.660 19.929 8.530 1.00 0.00 C ATOM 51 OG SER A 5 17.920 20.514 8.206 1.00 0.00 O ATOM 0 H SER A 5 18.158 18.561 7.167 1.00 0.00 H new ATOM 0 HA SER A 5 15.404 18.366 7.772 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.938 20.714 8.754 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.758 19.321 9.429 1.00 0.00 H new ATOM 0 HG SER A 5 18.024 21.358 8.693 1.00 0.00 H new ATOM 57 N VAL A 6 14.200 19.609 6.037 1.00 0.00 N ATOM 58 CA VAL A 6 13.461 20.327 5.019 1.00 0.00 C ATOM 59 C VAL A 6 12.869 21.634 5.563 1.00 0.00 C ATOM 60 O VAL A 6 12.800 22.637 4.850 1.00 0.00 O ATOM 61 CB VAL A 6 12.346 19.443 4.391 1.00 0.00 C ATOM 62 CG1 VAL A 6 11.242 19.128 5.393 1.00 0.00 C ATOM 63 CG2 VAL A 6 11.781 20.100 3.145 1.00 0.00 C ATOM 0 H VAL A 6 13.677 18.864 6.497 1.00 0.00 H new ATOM 0 HA VAL A 6 14.173 20.582 4.234 1.00 0.00 H new ATOM 0 HB VAL A 6 12.800 18.494 4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.483 18.509 4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.664 18.593 6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.788 20.057 5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.003 19.466 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.357 21.070 3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.577 20.237 2.413 1.00 0.00 H new ATOM 73 N PHE A 7 12.471 21.632 6.829 1.00 0.00 N ATOM 74 CA PHE A 7 11.875 22.815 7.425 1.00 0.00 C ATOM 75 C PHE A 7 12.944 23.827 7.799 1.00 0.00 C ATOM 76 O PHE A 7 14.062 23.462 8.176 1.00 0.00 O ATOM 77 CB PHE A 7 11.003 22.461 8.649 1.00 0.00 C ATOM 78 CG PHE A 7 11.753 21.835 9.799 1.00 0.00 C ATOM 79 CD1 PHE A 7 12.215 22.616 10.849 1.00 0.00 C ATOM 80 CD2 PHE A 7 11.987 20.469 9.833 1.00 0.00 C ATOM 81 CE1 PHE A 7 12.897 22.047 11.906 1.00 0.00 C ATOM 82 CE2 PHE A 7 12.670 19.896 10.889 1.00 0.00 C ATOM 83 CZ PHE A 7 13.125 20.685 11.926 1.00 0.00 C ATOM 0 H PHE A 7 12.550 20.831 7.456 1.00 0.00 H new ATOM 0 HA PHE A 7 11.221 23.264 6.677 1.00 0.00 H new ATOM 0 HB2 PHE A 7 10.513 23.368 9.003 1.00 0.00 H new ATOM 0 HB3 PHE A 7 10.216 21.777 8.331 1.00 0.00 H new ATOM 0 HD1 PHE A 7 12.039 23.682 10.839 1.00 0.00 H new ATOM 0 HD2 PHE A 7 11.632 19.846 9.026 1.00 0.00 H new ATOM 0 HE1 PHE A 7 13.252 22.666 12.716 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.848 18.831 10.903 1.00 0.00 H new ATOM 0 HZ PHE A 7 13.659 20.238 12.752 1.00 0.00 H new ATOM 93 N GLY A 8 12.603 25.090 7.676 1.00 0.00 N ATOM 94 CA GLY A 8 13.527 26.142 8.006 1.00 0.00 C ATOM 95 C GLY A 8 13.470 26.514 9.460 1.00 0.00 C ATOM 96 O GLY A 8 14.387 26.220 10.225 1.00 0.00 O ATOM 0 H GLY A 8 11.691 25.410 7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.539 25.826 7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 8 13.306 27.020 7.399 1.00 0.00 H new ATOM 100 N ALA A 9 12.388 27.158 9.838 1.00 0.00 N ATOM 101 CA ALA A 9 12.186 27.599 11.202 1.00 0.00 C ATOM 102 C ALA A 9 10.751 28.026 11.386 1.00 0.00 C ATOM 103 O ALA A 9 10.041 27.521 12.253 1.00 0.00 O ATOM 104 CB ALA A 9 13.123 28.755 11.526 1.00 0.00 C ATOM 0 H ALA A 9 11.621 27.392 9.207 1.00 0.00 H new ATOM 0 HA ALA A 9 12.406 26.775 11.881 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.961 29.077 12.555 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.157 28.430 11.406 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.923 29.586 10.850 1.00 0.00 H new ATOM 110 N GLY A 10 10.317 28.941 10.542 1.00 0.00 N ATOM 111 CA GLY A 10 8.970 29.430 10.624 1.00 0.00 C ATOM 112 C GLY A 10 8.096 28.887 9.526 1.00 0.00 C ATOM 113 O GLY A 10 7.433 29.649 8.824 1.00 0.00 O ATOM 0 H GLY A 10 10.880 29.354 9.798 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.546 29.158 11.591 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.978 30.519 10.574 1.00 0.00 H new ATOM 117 N CYS A 11 8.110 27.575 9.348 1.00 0.00 N ATOM 118 CA CYS A 11 7.272 26.952 8.352 1.00 0.00 C ATOM 119 C CYS A 11 5.852 26.850 8.871 1.00 0.00 C ATOM 120 O CYS A 11 5.633 26.591 10.055 1.00 0.00 O ATOM 121 CB CYS A 11 7.801 25.567 8.006 1.00 0.00 C ATOM 122 SG CYS A 11 9.537 25.544 7.508 1.00 0.00 S ATOM 0 H CYS A 11 8.692 26.929 9.881 1.00 0.00 H new ATOM 0 HA CYS A 11 7.282 27.563 7.449 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.673 24.915 8.870 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.197 25.150 7.200 1.00 0.00 H new ATOM 127 N THR A 12 4.897 27.070 8.007 1.00 0.00 N ATOM 128 CA THR A 12 3.514 27.005 8.401 1.00 0.00 C ATOM 129 C THR A 12 2.983 25.585 8.289 1.00 0.00 C ATOM 130 O THR A 12 3.670 24.687 7.785 1.00 0.00 O ATOM 131 CB THR A 12 2.653 27.932 7.534 1.00 0.00 C ATOM 132 OG1 THR A 12 2.797 27.571 6.152 1.00 0.00 O ATOM 133 CG2 THR A 12 3.068 29.377 7.726 1.00 0.00 C ATOM 0 H THR A 12 5.051 27.296 7.024 1.00 0.00 H new ATOM 0 HA THR A 12 3.457 27.329 9.440 1.00 0.00 H new ATOM 0 HB THR A 12 1.611 27.823 7.835 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.377 28.255 5.590 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.446 30.020 7.103 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.943 29.655 8.772 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.113 29.496 7.441 1.00 0.00 H new ATOM 141 N ASP A 13 1.761 25.384 8.751 1.00 0.00 N ATOM 142 CA ASP A 13 1.108 24.090 8.646 1.00 0.00 C ATOM 143 C ASP A 13 0.802 23.803 7.184 1.00 0.00 C ATOM 144 O ASP A 13 0.672 22.651 6.767 1.00 0.00 O ATOM 145 CB ASP A 13 -0.179 24.072 9.472 1.00 0.00 C ATOM 146 CG ASP A 13 -0.875 22.728 9.443 1.00 0.00 C ATOM 147 OD1 ASP A 13 -0.457 21.821 10.195 1.00 0.00 O ATOM 148 OD2 ASP A 13 -1.850 22.573 8.673 1.00 0.00 O ATOM 0 H ASP A 13 1.198 26.104 9.205 1.00 0.00 H new ATOM 0 HA ASP A 13 1.772 23.318 9.036 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.053 24.334 10.504 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.858 24.836 9.095 1.00 0.00 H new ATOM 153 N VAL A 14 0.724 24.876 6.408 1.00 0.00 N ATOM 154 CA VAL A 14 0.472 24.795 4.984 1.00 0.00 C ATOM 155 C VAL A 14 1.688 24.195 4.271 1.00 0.00 C ATOM 156 O VAL A 14 1.557 23.551 3.228 1.00 0.00 O ATOM 157 CB VAL A 14 0.159 26.197 4.397 1.00 0.00 C ATOM 158 CG1 VAL A 14 -0.278 26.098 2.947 1.00 0.00 C ATOM 159 CG2 VAL A 14 -0.908 26.900 5.226 1.00 0.00 C ATOM 0 H VAL A 14 0.835 25.829 6.755 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.394 24.153 4.826 1.00 0.00 H new ATOM 0 HB VAL A 14 1.075 26.787 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.491 27.095 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.518 25.644 2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.176 25.484 2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.113 27.881 4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.821 26.305 5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.554 27.018 6.250 1.00 0.00 H new ATOM 169 N CYS A 15 2.867 24.385 4.863 1.00 0.00 N ATOM 170 CA CYS A 15 4.097 23.840 4.312 1.00 0.00 C ATOM 171 C CYS A 15 4.185 22.355 4.632 1.00 0.00 C ATOM 172 O CYS A 15 4.786 21.578 3.897 1.00 0.00 O ATOM 173 CB CYS A 15 5.311 24.582 4.883 1.00 0.00 C ATOM 174 SG CYS A 15 6.912 23.921 4.360 1.00 0.00 S ATOM 0 H CYS A 15 2.991 24.914 5.726 1.00 0.00 H new ATOM 0 HA CYS A 15 4.093 23.972 3.230 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.252 25.630 4.588 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.259 24.553 5.971 1.00 0.00 H new ATOM 179 N LYS A 16 3.542 21.959 5.726 1.00 0.00 N ATOM 180 CA LYS A 16 3.540 20.567 6.145 1.00 0.00 C ATOM 181 C LYS A 16 2.499 19.778 5.348 1.00 0.00 C ATOM 182 O LYS A 16 2.294 18.585 5.583 1.00 0.00 O ATOM 183 CB LYS A 16 3.262 20.448 7.654 1.00 0.00 C ATOM 184 CG LYS A 16 4.104 21.384 8.522 1.00 0.00 C ATOM 185 CD LYS A 16 5.604 21.112 8.404 1.00 0.00 C ATOM 186 CE LYS A 16 6.399 22.298 8.914 1.00 0.00 C ATOM 187 NZ LYS A 16 6.276 22.456 10.385 1.00 0.00 N ATOM 0 H LYS A 16 3.016 22.585 6.337 1.00 0.00 H new ATOM 0 HA LYS A 16 4.527 20.148 5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.207 20.654 7.835 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.444 19.420 7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.903 22.416 8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.801 21.277 9.564 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.864 20.220 8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.863 20.913 7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.449 22.172 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.052 23.206 8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.834 23.278 10.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.277 22.602 10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.630 21.600 10.857 1.00 0.00 H new ATOM 201 N GLN A 17 1.837 20.460 4.409 1.00 0.00 N ATOM 202 CA GLN A 17 0.859 19.812 3.534 1.00 0.00 C ATOM 203 C GLN A 17 1.564 18.888 2.551 1.00 0.00 C ATOM 204 O GLN A 17 2.796 18.856 2.472 1.00 0.00 O ATOM 205 CB GLN A 17 0.011 20.835 2.746 1.00 0.00 C ATOM 206 CG GLN A 17 -1.134 21.472 3.527 1.00 0.00 C ATOM 207 CD GLN A 17 -2.066 22.314 2.639 1.00 0.00 C ATOM 208 OE1 GLN A 17 -2.244 22.033 1.456 1.00 0.00 O ATOM 209 NE2 GLN A 17 -2.649 23.342 3.215 1.00 0.00 N ATOM 0 H GLN A 17 1.961 21.458 4.236 1.00 0.00 H new ATOM 0 HA GLN A 17 0.189 19.239 4.176 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.668 21.627 2.386 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.402 20.340 1.867 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.714 20.689 4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.723 22.103 4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.475 23.541 4.200 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.276 23.940 2.677 1.00 0.00 H new ATOM 218 N THR A 18 0.788 18.152 1.806 1.00 0.00 N ATOM 219 CA THR A 18 1.308 17.229 0.816 1.00 0.00 C ATOM 220 C THR A 18 0.243 16.989 -0.256 1.00 0.00 C ATOM 221 O THR A 18 -0.757 16.311 -0.002 1.00 0.00 O ATOM 222 CB THR A 18 1.722 15.878 1.451 1.00 0.00 C ATOM 223 OG1 THR A 18 2.560 16.115 2.597 1.00 0.00 O ATOM 224 CG2 THR A 18 2.487 15.030 0.447 1.00 0.00 C ATOM 0 H THR A 18 -0.230 18.170 1.863 1.00 0.00 H new ATOM 0 HA THR A 18 2.199 17.673 0.372 1.00 0.00 H new ATOM 0 HB THR A 18 0.818 15.349 1.754 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.818 15.258 2.996 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.770 14.085 0.910 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.856 14.835 -0.420 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.384 15.562 0.130 1.00 0.00 H new ATOM 232 N PRO A 19 0.419 17.565 -1.462 1.00 0.00 N ATOM 233 CA PRO A 19 1.599 18.373 -1.815 1.00 0.00 C ATOM 234 C PRO A 19 1.626 19.677 -1.046 1.00 0.00 C ATOM 235 O PRO A 19 0.618 20.067 -0.445 1.00 0.00 O ATOM 236 CB PRO A 19 1.414 18.642 -3.308 1.00 0.00 C ATOM 237 CG PRO A 19 -0.053 18.540 -3.530 1.00 0.00 C ATOM 238 CD PRO A 19 -0.552 17.507 -2.557 1.00 0.00 C ATOM 0 HA PRO A 19 2.535 17.867 -1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.789 19.628 -3.582 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.958 17.915 -3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.540 19.501 -3.362 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.272 18.246 -4.557 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.560 17.736 -2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.588 16.516 -3.009 1.00 0.00 H new ATOM 246 N CYS A 20 2.761 20.344 -1.061 1.00 0.00 N ATOM 247 CA CYS A 20 2.923 21.568 -0.319 1.00 0.00 C ATOM 248 C CYS A 20 1.867 22.581 -0.727 1.00 0.00 C ATOM 249 O CYS A 20 1.780 22.983 -1.894 1.00 0.00 O ATOM 250 CB CYS A 20 4.313 22.135 -0.508 1.00 0.00 C ATOM 251 SG CYS A 20 4.708 23.441 0.654 1.00 0.00 S ATOM 0 H CYS A 20 3.587 20.053 -1.584 1.00 0.00 H new ATOM 0 HA CYS A 20 2.794 21.344 0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.043 21.332 -0.404 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.406 22.521 -1.523 1.00 0.00 H new ATOM 256 N GLY A 21 1.076 22.994 0.239 1.00 0.00 N ATOM 257 CA GLY A 21 -0.026 23.868 -0.032 1.00 0.00 C ATOM 258 C GLY A 21 0.399 25.280 -0.337 1.00 0.00 C ATOM 259 O GLY A 21 -0.348 26.028 -0.952 1.00 0.00 O ATOM 0 H GLY A 21 1.182 22.733 1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.594 23.476 -0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.696 23.875 0.828 1.00 0.00 H new ATOM 263 N CYS A 22 1.610 25.645 0.065 1.00 0.00 N ATOM 264 CA CYS A 22 2.119 26.999 -0.174 1.00 0.00 C ATOM 265 C CYS A 22 2.205 27.305 -1.670 1.00 0.00 C ATOM 266 O CYS A 22 2.191 28.464 -2.079 1.00 0.00 O ATOM 267 CB CYS A 22 3.494 27.187 0.468 1.00 0.00 C ATOM 268 SG CYS A 22 3.503 27.157 2.273 1.00 0.00 S ATOM 0 H CYS A 22 2.259 25.030 0.556 1.00 0.00 H new ATOM 0 HA CYS A 22 1.415 27.694 0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.159 26.404 0.103 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.908 28.138 0.133 1.00 0.00 H new ATOM 273 N ALA A 23 2.267 26.260 -2.481 1.00 0.00 N ATOM 274 CA ALA A 23 2.387 26.421 -3.918 1.00 0.00 C ATOM 275 C ALA A 23 1.071 26.859 -4.558 1.00 0.00 C ATOM 276 O ALA A 23 1.063 27.384 -5.669 1.00 0.00 O ATOM 277 CB ALA A 23 2.890 25.136 -4.555 1.00 0.00 C ATOM 0 H ALA A 23 2.236 25.290 -2.166 1.00 0.00 H new ATOM 0 HA ALA A 23 3.113 27.214 -4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.975 25.273 -5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.867 24.884 -4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.189 24.328 -4.346 1.00 0.00 H new ATOM 283 N THR A 24 -0.036 26.650 -3.861 1.00 0.00 N ATOM 284 CA THR A 24 -1.332 27.026 -4.403 1.00 0.00 C ATOM 285 C THR A 24 -2.115 27.928 -3.438 1.00 0.00 C ATOM 286 O THR A 24 -3.042 28.628 -3.848 1.00 0.00 O ATOM 287 CB THR A 24 -2.180 25.776 -4.766 1.00 0.00 C ATOM 288 OG1 THR A 24 -3.424 26.173 -5.365 1.00 0.00 O ATOM 289 CG2 THR A 24 -2.458 24.924 -3.530 1.00 0.00 C ATOM 0 H THR A 24 -0.064 26.228 -2.933 1.00 0.00 H new ATOM 0 HA THR A 24 -1.137 27.591 -5.314 1.00 0.00 H new ATOM 0 HB THR A 24 -1.609 25.181 -5.479 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.649 27.083 -5.079 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.053 24.056 -3.813 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.514 24.592 -3.097 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.005 25.515 -2.796 1.00 0.00 H new ATOM 297 N SER A 25 -1.733 27.921 -2.173 1.00 0.00 N ATOM 298 CA SER A 25 -2.423 28.712 -1.166 1.00 0.00 C ATOM 299 C SER A 25 -1.572 29.909 -0.741 1.00 0.00 C ATOM 300 O SER A 25 -1.982 30.711 0.106 1.00 0.00 O ATOM 301 CB SER A 25 -2.760 27.833 0.052 1.00 0.00 C ATOM 302 OG SER A 25 -3.714 28.459 0.900 1.00 0.00 O ATOM 0 H SER A 25 -0.948 27.376 -1.817 1.00 0.00 H new ATOM 0 HA SER A 25 -3.350 29.091 -1.596 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.149 26.873 -0.288 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.850 27.627 0.616 1.00 0.00 H new ATOM 0 HG SER A 25 -3.516 29.417 0.965 1.00 0.00 H new ATOM 308 N GLY A 26 -0.398 30.033 -1.334 1.00 0.00 N ATOM 309 CA GLY A 26 0.480 31.124 -0.993 1.00 0.00 C ATOM 310 C GLY A 26 1.429 30.749 0.118 1.00 0.00 C ATOM 311 O GLY A 26 1.044 30.065 1.067 1.00 0.00 O ATOM 0 H GLY A 26 -0.039 29.397 -2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.050 31.422 -1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.113 31.987 -0.690 1.00 0.00 H new ATOM 315 N CYS A 27 2.662 31.179 -0.003 1.00 0.00 N ATOM 316 CA CYS A 27 3.672 30.878 0.987 1.00 0.00 C ATOM 317 C CYS A 27 3.610 31.862 2.153 1.00 0.00 C ATOM 318 O CYS A 27 3.139 32.989 2.000 1.00 0.00 O ATOM 319 CB CYS A 27 5.051 30.909 0.349 1.00 0.00 C ATOM 320 SG CYS A 27 6.392 30.596 1.504 1.00 0.00 S ATOM 0 H CYS A 27 2.994 31.744 -0.785 1.00 0.00 H new ATOM 0 HA CYS A 27 3.479 29.879 1.377 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.089 30.166 -0.448 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.204 31.883 -0.116 1.00 0.00 H new ATOM 325 N ASN A 28 4.091 31.432 3.313 1.00 0.00 N ATOM 326 CA ASN A 28 4.082 32.277 4.502 1.00 0.00 C ATOM 327 C ASN A 28 5.264 31.928 5.433 1.00 0.00 C ATOM 328 O ASN A 28 5.295 32.326 6.600 1.00 0.00 O ATOM 329 CB ASN A 28 2.754 32.093 5.248 1.00 0.00 C ATOM 330 CG ASN A 28 2.524 33.130 6.333 1.00 0.00 C ATOM 331 OD1 ASN A 28 2.874 34.299 6.180 1.00 0.00 O ATOM 332 ND2 ASN A 28 1.954 32.701 7.445 1.00 0.00 N ATOM 0 H ASN A 28 4.492 30.505 3.456 1.00 0.00 H new ATOM 0 HA ASN A 28 4.188 33.317 4.194 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.934 32.139 4.532 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.731 31.099 5.695 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.790 33.348 8.216 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.678 31.723 7.532 1.00 0.00 H new ATOM 339 N CYS A 29 6.242 31.197 4.908 1.00 0.00 N ATOM 340 CA CYS A 29 7.391 30.770 5.709 1.00 0.00 C ATOM 341 C CYS A 29 8.487 31.832 5.745 1.00 0.00 C ATOM 342 O CYS A 29 8.315 32.942 5.230 1.00 0.00 O ATOM 343 CB CYS A 29 7.967 29.470 5.155 1.00 0.00 C ATOM 344 SG CYS A 29 6.806 28.101 5.133 1.00 0.00 S ATOM 0 H CYS A 29 6.265 30.888 3.936 1.00 0.00 H new ATOM 0 HA CYS A 29 7.034 30.614 6.727 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.322 29.647 4.140 1.00 0.00 H new ATOM 0 HB3 CYS A 29 8.834 29.187 5.751 1.00 0.00 H new ATOM 349 N THR A 30 9.605 31.482 6.367 1.00 0.00 N ATOM 350 CA THR A 30 10.751 32.358 6.439 1.00 0.00 C ATOM 351 C THR A 30 11.823 31.906 5.439 1.00 0.00 C ATOM 352 O THR A 30 11.697 30.840 4.828 1.00 0.00 O ATOM 353 CB THR A 30 11.340 32.384 7.865 1.00 0.00 C ATOM 354 OG1 THR A 30 11.617 31.044 8.316 1.00 0.00 O ATOM 355 CG2 THR A 30 10.373 33.050 8.833 1.00 0.00 C ATOM 0 H THR A 30 9.736 30.584 6.832 1.00 0.00 H new ATOM 0 HA THR A 30 10.424 33.366 6.185 1.00 0.00 H new ATOM 0 HB THR A 30 12.267 32.956 7.837 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.992 31.074 9.221 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.807 33.058 9.833 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.184 34.074 8.511 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.435 32.495 8.849 1.00 0.00 H new ATOM 363 N ASP A 31 12.882 32.699 5.292 1.00 0.00 N ATOM 364 CA ASP A 31 13.953 32.400 4.326 1.00 0.00 C ATOM 365 C ASP A 31 14.714 31.125 4.693 1.00 0.00 C ATOM 366 O ASP A 31 15.312 30.480 3.833 1.00 0.00 O ATOM 367 CB ASP A 31 14.923 33.584 4.216 1.00 0.00 C ATOM 368 CG ASP A 31 16.082 33.309 3.276 1.00 0.00 C ATOM 369 OD1 ASP A 31 15.880 33.347 2.048 1.00 0.00 O ATOM 370 OD2 ASP A 31 17.203 33.059 3.767 1.00 0.00 O ATOM 0 H ASP A 31 13.027 33.555 5.827 1.00 0.00 H new ATOM 0 HA ASP A 31 13.480 32.234 3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.379 34.462 3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.312 33.822 5.206 1.00 0.00 H new ATOM 375 N ASP A 32 14.668 30.751 5.966 1.00 0.00 N ATOM 376 CA ASP A 32 15.366 29.555 6.443 1.00 0.00 C ATOM 377 C ASP A 32 14.780 28.293 5.833 1.00 0.00 C ATOM 378 O ASP A 32 15.418 27.243 5.835 1.00 0.00 O ATOM 379 CB ASP A 32 15.303 29.455 7.970 1.00 0.00 C ATOM 380 CG ASP A 32 16.061 30.556 8.664 1.00 0.00 C ATOM 381 OD1 ASP A 32 15.448 31.597 8.976 1.00 0.00 O ATOM 382 OD2 ASP A 32 17.274 30.389 8.906 1.00 0.00 O ATOM 0 H ASP A 32 14.156 31.256 6.689 1.00 0.00 H new ATOM 0 HA ASP A 32 16.407 29.646 6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.261 29.483 8.288 1.00 0.00 H new ATOM 0 HB3 ASP A 32 15.706 28.491 8.282 1.00 0.00 H new ATOM 387 N CYS A 33 13.561 28.406 5.321 1.00 0.00 N ATOM 388 CA CYS A 33 12.859 27.282 4.726 1.00 0.00 C ATOM 389 C CYS A 33 13.674 26.658 3.591 1.00 0.00 C ATOM 390 O CYS A 33 13.911 27.291 2.557 1.00 0.00 O ATOM 391 CB CYS A 33 11.493 27.740 4.208 1.00 0.00 C ATOM 392 SG CYS A 33 10.498 26.438 3.453 1.00 0.00 S ATOM 0 H CYS A 33 13.034 29.279 5.308 1.00 0.00 H new ATOM 0 HA CYS A 33 12.718 26.521 5.493 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.932 28.173 5.036 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.644 28.533 3.476 1.00 0.00 H new ATOM 397 N LYS A 34 14.111 25.420 3.801 1.00 0.00 N ATOM 398 CA LYS A 34 14.882 24.701 2.801 1.00 0.00 C ATOM 399 C LYS A 34 13.981 23.770 2.000 1.00 0.00 C ATOM 400 O LYS A 34 14.462 22.899 1.266 1.00 0.00 O ATOM 401 CB LYS A 34 16.035 23.902 3.449 1.00 0.00 C ATOM 402 CG LYS A 34 17.139 24.779 4.060 1.00 0.00 C ATOM 403 CD LYS A 34 18.338 23.949 4.556 1.00 0.00 C ATOM 404 CE LYS A 34 17.953 23.079 5.736 1.00 0.00 C ATOM 405 NZ LYS A 34 19.064 22.206 6.175 1.00 0.00 N ATOM 0 H LYS A 34 13.942 24.895 4.659 1.00 0.00 H new ATOM 0 HA LYS A 34 15.319 25.437 2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.625 23.258 4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.478 23.250 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.481 25.499 3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.727 25.351 4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.710 23.323 3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 34 19.151 24.616 4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.642 23.713 6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.095 22.464 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.730 21.570 6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.401 21.642 5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.843 22.792 6.538 1.00 0.00 H new ATOM 419 N CYS A 35 12.667 23.952 2.136 1.00 0.00 N ATOM 420 CA CYS A 35 11.728 23.137 1.401 1.00 0.00 C ATOM 421 C CYS A 35 11.745 23.516 -0.051 1.00 0.00 C ATOM 422 O CYS A 35 11.348 24.620 -0.432 1.00 0.00 O ATOM 423 CB CYS A 35 10.302 23.247 1.945 1.00 0.00 C ATOM 424 SG CYS A 35 9.101 22.220 1.032 1.00 0.00 S ATOM 0 H CYS A 35 12.242 24.652 2.744 1.00 0.00 H new ATOM 0 HA CYS A 35 12.043 22.101 1.521 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.297 22.953 2.995 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.984 24.289 1.904 1.00 0.00 H new ATOM 429 N GLN A 36 12.203 22.602 -0.862 1.00 0.00 N ATOM 430 CA GLN A 36 12.282 22.821 -2.280 1.00 0.00 C ATOM 431 C GLN A 36 10.892 22.763 -2.930 1.00 0.00 C ATOM 432 O GLN A 36 10.750 22.981 -4.136 1.00 0.00 O ATOM 433 CB GLN A 36 13.246 21.808 -2.937 1.00 0.00 C ATOM 434 CG GLN A 36 12.876 20.317 -2.774 1.00 0.00 C ATOM 435 CD GLN A 36 13.260 19.716 -1.423 1.00 0.00 C ATOM 436 OE1 GLN A 36 14.379 19.260 -1.232 1.00 0.00 O ATOM 437 NE2 GLN A 36 12.313 19.684 -0.495 1.00 0.00 N ATOM 0 H GLN A 36 12.532 21.685 -0.559 1.00 0.00 H new ATOM 0 HA GLN A 36 12.680 23.822 -2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.307 22.032 -4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.242 21.962 -2.522 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.801 20.204 -2.916 1.00 0.00 H new ATOM 0 HG3 GLN A 36 13.363 19.746 -3.564 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.392 20.075 -0.693 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.506 19.269 0.416 1.00 0.00 H new ATOM 446 N SER A 37 9.873 22.501 -2.126 1.00 0.00 N ATOM 447 CA SER A 37 8.525 22.378 -2.628 1.00 0.00 C ATOM 448 C SER A 37 7.834 23.742 -2.738 1.00 0.00 C ATOM 449 O SER A 37 7.275 24.064 -3.788 1.00 0.00 O ATOM 450 CB SER A 37 7.720 21.423 -1.752 1.00 0.00 C ATOM 451 OG SER A 37 8.416 20.196 -1.578 1.00 0.00 O ATOM 0 H SER A 37 9.961 22.370 -1.118 1.00 0.00 H new ATOM 0 HA SER A 37 8.578 21.965 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.533 21.882 -0.781 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.748 21.234 -2.208 1.00 0.00 H new ATOM 0 HG SER A 37 8.943 20.233 -0.753 1.00 0.00 H new ATOM 457 N CYS A 38 7.875 24.558 -1.675 1.00 0.00 N ATOM 458 CA CYS A 38 7.232 25.861 -1.746 1.00 0.00 C ATOM 459 C CYS A 38 8.179 26.895 -2.335 1.00 0.00 C ATOM 460 O CYS A 38 7.770 27.984 -2.724 1.00 0.00 O ATOM 461 CB CYS A 38 6.650 26.307 -0.387 1.00 0.00 C ATOM 462 SG CYS A 38 7.839 26.513 0.955 1.00 0.00 S ATOM 0 H CYS A 38 8.332 24.343 -0.789 1.00 0.00 H new ATOM 0 HA CYS A 38 6.379 25.770 -2.418 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.128 27.253 -0.531 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.905 25.575 -0.076 1.00 0.00 H new ATOM 467 N LYS A 39 9.454 26.532 -2.407 1.00 0.00 N ATOM 468 CA LYS A 39 10.466 27.363 -3.049 1.00 0.00 C ATOM 469 C LYS A 39 10.764 26.796 -4.428 1.00 0.00 C ATOM 470 O LYS A 39 11.901 26.824 -4.902 1.00 0.00 O ATOM 471 CB LYS A 39 11.759 27.430 -2.204 1.00 0.00 C ATOM 472 CG LYS A 39 11.724 28.454 -1.068 1.00 0.00 C ATOM 473 CD LYS A 39 10.629 28.147 -0.077 1.00 0.00 C ATOM 474 CE LYS A 39 10.474 29.225 0.965 1.00 0.00 C ATOM 475 NZ LYS A 39 9.353 28.924 1.896 1.00 0.00 N ATOM 0 H LYS A 39 9.815 25.658 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 39 10.083 28.380 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.953 26.444 -1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.596 27.665 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.686 28.464 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.573 29.451 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.686 28.023 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.844 27.199 0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.401 29.323 1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.296 30.183 0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.983 29.811 2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.595 28.433 1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.696 28.316 2.667 1.00 0.00 H new ATOM 489 N TYR A 40 9.720 26.278 -5.069 1.00 0.00 N ATOM 490 CA TYR A 40 9.843 25.685 -6.386 1.00 0.00 C ATOM 491 C TYR A 40 10.250 26.732 -7.416 1.00 0.00 C ATOM 492 O TYR A 40 10.028 27.926 -7.226 1.00 0.00 O ATOM 493 CB TYR A 40 8.535 24.983 -6.803 1.00 0.00 C ATOM 494 CG TYR A 40 7.352 25.912 -7.039 1.00 0.00 C ATOM 495 CD1 TYR A 40 6.897 26.169 -8.328 1.00 0.00 C ATOM 496 CD2 TYR A 40 6.688 26.519 -5.978 1.00 0.00 C ATOM 497 CE1 TYR A 40 5.818 27.002 -8.551 1.00 0.00 C ATOM 498 CE2 TYR A 40 5.609 27.355 -6.196 1.00 0.00 C ATOM 499 CZ TYR A 40 5.178 27.591 -7.484 1.00 0.00 C ATOM 500 OH TYR A 40 4.100 28.419 -7.706 1.00 0.00 O ATOM 0 H TYR A 40 8.774 26.260 -4.689 1.00 0.00 H new ATOM 0 HA TYR A 40 10.628 24.930 -6.342 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.720 24.416 -7.715 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.264 24.264 -6.030 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.396 25.710 -9.169 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.021 26.334 -4.967 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.478 27.190 -9.559 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.106 27.821 -5.361 1.00 0.00 H new ATOM 0 HH TYR A 40 3.762 28.753 -6.849 1.00 0.00 H new ATOM 510 N GLY A 41 10.840 26.276 -8.496 1.00 0.00 N ATOM 511 CA GLY A 41 11.329 27.176 -9.510 1.00 0.00 C ATOM 512 C GLY A 41 12.757 26.858 -9.820 1.00 0.00 C ATOM 513 O GLY A 41 13.170 26.845 -10.972 1.00 0.00 O ATOM 0 H GLY A 41 10.992 25.287 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.723 27.088 -10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.242 28.207 -9.167 1.00 0.00 H new ATOM 517 N ALA A 42 13.503 26.532 -8.770 1.00 0.00 N ATOM 518 CA ALA A 42 14.900 26.148 -8.890 1.00 0.00 C ATOM 519 C ALA A 42 14.998 24.666 -9.242 1.00 0.00 C ATOM 520 O ALA A 42 16.055 24.052 -9.147 1.00 0.00 O ATOM 521 CB ALA A 42 15.629 26.434 -7.585 1.00 0.00 C ATOM 0 H ALA A 42 13.153 26.527 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 42 15.368 26.729 -9.685 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.675 26.144 -7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 42 15.567 27.499 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.168 25.865 -6.778 1.00 0.00 H new ATOM 527 N GLY A 43 13.883 24.109 -9.667 1.00 0.00 N ATOM 528 CA GLY A 43 13.838 22.722 -10.014 1.00 0.00 C ATOM 529 C GLY A 43 12.911 22.419 -11.170 1.00 0.00 C ATOM 530 O GLY A 43 12.853 21.292 -11.625 1.00 0.00 O ATOM 0 H GLY A 43 12.999 24.605 -9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.844 22.386 -10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.520 22.148 -9.144 1.00 0.00 H new ATOM 534 N CYS A 44 12.229 23.429 -11.679 1.00 0.00 N ATOM 535 CA CYS A 44 11.241 23.211 -12.734 1.00 0.00 C ATOM 536 C CYS A 44 11.312 24.250 -13.826 1.00 0.00 C ATOM 537 O CYS A 44 12.074 25.215 -13.747 1.00 0.00 O ATOM 538 CB CYS A 44 9.824 23.203 -12.160 1.00 0.00 C ATOM 539 SG CYS A 44 9.189 21.574 -11.748 1.00 0.00 S ATOM 0 H CYS A 44 12.335 24.400 -11.387 1.00 0.00 H new ATOM 0 HA CYS A 44 11.479 22.240 -13.169 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.807 23.822 -11.263 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.152 23.668 -12.881 1.00 0.00 H new ATOM 544 N THR A 45 10.501 24.029 -14.837 1.00 0.00 N ATOM 545 CA THR A 45 10.346 24.929 -15.942 1.00 0.00 C ATOM 546 C THR A 45 8.856 25.060 -16.241 1.00 0.00 C ATOM 547 O THR A 45 8.042 24.281 -15.724 1.00 0.00 O ATOM 548 CB THR A 45 11.089 24.411 -17.205 1.00 0.00 C ATOM 549 OG1 THR A 45 10.965 25.351 -18.279 1.00 0.00 O ATOM 550 CG2 THR A 45 10.532 23.067 -17.652 1.00 0.00 C ATOM 0 H THR A 45 9.919 23.194 -14.908 1.00 0.00 H new ATOM 0 HA THR A 45 10.777 25.895 -15.679 1.00 0.00 H new ATOM 0 HB THR A 45 12.141 24.291 -16.944 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.817 25.414 -18.759 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.069 22.727 -18.537 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.654 22.338 -16.851 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.473 23.172 -17.888 1.00 0.00 H new ATOM 558 N ASP A 46 8.499 26.013 -17.064 1.00 0.00 N ATOM 559 CA ASP A 46 7.097 26.223 -17.416 1.00 0.00 C ATOM 560 C ASP A 46 6.612 25.109 -18.321 1.00 0.00 C ATOM 561 O ASP A 46 5.423 24.808 -18.373 1.00 0.00 O ATOM 562 CB ASP A 46 6.896 27.575 -18.101 1.00 0.00 C ATOM 563 CG ASP A 46 7.163 28.743 -17.182 1.00 0.00 C ATOM 564 OD1 ASP A 46 6.231 29.175 -16.466 1.00 0.00 O ATOM 565 OD2 ASP A 46 8.304 29.247 -17.174 1.00 0.00 O ATOM 0 H ASP A 46 9.150 26.661 -17.508 1.00 0.00 H new ATOM 0 HA ASP A 46 6.515 26.217 -16.495 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.557 27.641 -18.966 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.874 27.639 -18.475 1.00 0.00 H new ATOM 570 N THR A 47 7.548 24.483 -19.005 1.00 0.00 N ATOM 571 CA THR A 47 7.250 23.405 -19.921 1.00 0.00 C ATOM 572 C THR A 47 6.828 22.129 -19.165 1.00 0.00 C ATOM 573 O THR A 47 6.202 21.239 -19.732 1.00 0.00 O ATOM 574 CB THR A 47 8.481 23.117 -20.804 1.00 0.00 C ATOM 575 OG1 THR A 47 9.048 24.367 -21.227 1.00 0.00 O ATOM 576 CG2 THR A 47 8.096 22.310 -22.034 1.00 0.00 C ATOM 0 H THR A 47 8.540 24.710 -18.940 1.00 0.00 H new ATOM 0 HA THR A 47 6.415 23.712 -20.551 1.00 0.00 H new ATOM 0 HB THR A 47 9.200 22.540 -20.223 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.833 24.197 -21.788 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.984 22.122 -22.638 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.660 21.360 -21.724 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.368 22.869 -22.623 1.00 0.00 H new ATOM 584 N CYS A 48 7.145 22.065 -17.886 1.00 0.00 N ATOM 585 CA CYS A 48 6.804 20.902 -17.078 1.00 0.00 C ATOM 586 C CYS A 48 5.405 21.047 -16.468 1.00 0.00 C ATOM 587 O CYS A 48 4.660 20.076 -16.357 1.00 0.00 O ATOM 588 CB CYS A 48 7.850 20.699 -15.971 1.00 0.00 C ATOM 589 SG CYS A 48 7.531 19.294 -14.873 1.00 0.00 S ATOM 0 H CYS A 48 7.638 22.802 -17.381 1.00 0.00 H new ATOM 0 HA CYS A 48 6.801 20.026 -17.727 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.828 20.565 -16.434 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.903 21.607 -15.370 1.00 0.00 H new ATOM 594 N LYS A 49 5.037 22.275 -16.122 1.00 0.00 N ATOM 595 CA LYS A 49 3.759 22.539 -15.447 1.00 0.00 C ATOM 596 C LYS A 49 2.599 22.667 -16.440 1.00 0.00 C ATOM 597 O LYS A 49 1.487 23.035 -16.056 1.00 0.00 O ATOM 598 CB LYS A 49 3.866 23.823 -14.629 1.00 0.00 C ATOM 599 CG LYS A 49 3.879 25.086 -15.481 1.00 0.00 C ATOM 600 CD LYS A 49 4.321 26.295 -14.688 1.00 0.00 C ATOM 601 CE LYS A 49 3.435 26.554 -13.474 1.00 0.00 C ATOM 602 NZ LYS A 49 2.055 26.950 -13.853 1.00 0.00 N ATOM 0 H LYS A 49 5.601 23.107 -16.295 1.00 0.00 H new ATOM 0 HA LYS A 49 3.551 21.690 -14.796 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.028 23.872 -13.933 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.776 23.788 -14.030 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.547 24.944 -16.330 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.882 25.262 -15.886 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.350 26.153 -14.359 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.311 27.173 -15.334 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.396 25.655 -12.858 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.881 27.340 -12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.502 27.148 -12.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.089 27.803 -14.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.605 26.177 -14.384 1.00 0.00 H new ATOM 616 N GLN A 50 2.861 22.360 -17.704 1.00 0.00 N ATOM 617 CA GLN A 50 1.847 22.478 -18.754 1.00 0.00 C ATOM 618 C GLN A 50 0.645 21.580 -18.483 1.00 0.00 C ATOM 619 O GLN A 50 -0.475 21.893 -18.888 1.00 0.00 O ATOM 620 CB GLN A 50 2.444 22.138 -20.105 1.00 0.00 C ATOM 621 CG GLN A 50 3.656 22.975 -20.450 1.00 0.00 C ATOM 622 CD GLN A 50 3.941 23.025 -21.929 1.00 0.00 C ATOM 623 OE1 GLN A 50 3.626 22.094 -22.668 1.00 0.00 O ATOM 624 NE2 GLN A 50 4.557 24.093 -22.364 1.00 0.00 N ATOM 0 H GLN A 50 3.768 22.026 -18.031 1.00 0.00 H new ATOM 0 HA GLN A 50 1.502 23.512 -18.758 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.723 21.084 -20.117 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.685 22.275 -20.875 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.506 23.990 -20.081 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.527 22.573 -19.932 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.799 24.842 -21.715 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.795 24.177 -23.352 1.00 0.00 H new ATOM 633 N THR A 51 0.898 20.462 -17.808 1.00 0.00 N ATOM 634 CA THR A 51 -0.138 19.491 -17.456 1.00 0.00 C ATOM 635 C THR A 51 -0.649 18.747 -18.704 1.00 0.00 C ATOM 636 O THR A 51 -1.356 19.318 -19.536 1.00 0.00 O ATOM 637 CB THR A 51 -1.318 20.147 -16.702 1.00 0.00 C ATOM 638 OG1 THR A 51 -0.816 20.905 -15.585 1.00 0.00 O ATOM 639 CG2 THR A 51 -2.289 19.088 -16.194 1.00 0.00 C ATOM 0 H THR A 51 1.831 20.202 -17.488 1.00 0.00 H new ATOM 0 HA THR A 51 0.324 18.768 -16.783 1.00 0.00 H new ATOM 0 HB THR A 51 -1.845 20.806 -17.392 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.565 21.321 -15.109 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.111 19.571 -15.667 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.682 18.521 -17.037 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.769 18.413 -15.514 1.00 0.00 H new ATOM 647 N PRO A 52 -0.275 17.460 -18.859 1.00 0.00 N ATOM 648 CA PRO A 52 0.574 16.745 -17.894 1.00 0.00 C ATOM 649 C PRO A 52 1.977 17.322 -17.863 1.00 0.00 C ATOM 650 O PRO A 52 2.441 17.797 -16.830 1.00 0.00 O ATOM 651 CB PRO A 52 0.604 15.300 -18.431 1.00 0.00 C ATOM 652 CG PRO A 52 -0.511 15.230 -19.420 1.00 0.00 C ATOM 653 CD PRO A 52 -0.639 16.608 -19.992 1.00 0.00 C ATOM 0 HA PRO A 52 0.194 16.818 -16.875 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.562 15.073 -18.900 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.464 14.578 -17.627 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.295 14.501 -20.201 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.439 14.918 -18.941 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.027 16.757 -20.842 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.652 16.809 -20.341 1.00 0.00 H new ATOM 661 N CYS A 53 2.626 17.311 -19.009 1.00 0.00 N ATOM 662 CA CYS A 53 3.952 17.840 -19.139 1.00 0.00 C ATOM 663 C CYS A 53 4.281 18.062 -20.611 1.00 0.00 C ATOM 664 O CYS A 53 3.875 17.273 -21.467 1.00 0.00 O ATOM 665 CB CYS A 53 4.941 16.871 -18.519 1.00 0.00 C ATOM 666 SG CYS A 53 6.631 17.468 -18.488 1.00 0.00 S ATOM 0 H CYS A 53 2.241 16.932 -19.874 1.00 0.00 H new ATOM 0 HA CYS A 53 4.016 18.797 -18.621 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.626 16.651 -17.499 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.909 15.932 -19.072 1.00 0.00 H new ATOM 671 N GLY A 54 4.981 19.143 -20.910 1.00 0.00 N ATOM 672 CA GLY A 54 5.358 19.417 -22.276 1.00 0.00 C ATOM 673 C GLY A 54 6.832 19.179 -22.531 1.00 0.00 C ATOM 674 O GLY A 54 7.296 19.306 -23.664 1.00 0.00 O ATOM 0 H GLY A 54 5.295 19.835 -20.230 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.771 18.787 -22.945 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.114 20.452 -22.516 1.00 0.00 H new ATOM 678 N CYS A 55 7.578 18.846 -21.477 1.00 0.00 N ATOM 679 CA CYS A 55 9.002 18.599 -21.599 1.00 0.00 C ATOM 680 C CYS A 55 9.276 17.341 -22.420 1.00 0.00 C ATOM 681 O CYS A 55 9.702 17.422 -23.573 1.00 0.00 O ATOM 682 CB CYS A 55 9.646 18.464 -20.218 1.00 0.00 C ATOM 683 SG CYS A 55 9.744 19.988 -19.257 1.00 0.00 S ATOM 0 H CYS A 55 7.212 18.743 -20.530 1.00 0.00 H new ATOM 0 HA CYS A 55 9.441 19.452 -22.116 1.00 0.00 H new ATOM 0 HB2 CYS A 55 9.083 17.728 -19.644 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.654 18.068 -20.343 1.00 0.00 H new ATOM 688 N GLY A 56 9.011 16.182 -21.827 1.00 0.00 N ATOM 689 CA GLY A 56 9.284 14.923 -22.495 1.00 0.00 C ATOM 690 C GLY A 56 10.763 14.759 -22.794 1.00 0.00 C ATOM 691 O GLY A 56 11.578 14.633 -21.877 1.00 0.00 O ATOM 0 H GLY A 56 8.611 16.092 -20.893 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.945 14.097 -21.869 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.716 14.873 -23.424 1.00 0.00 H new ATOM 695 N SER A 57 11.111 14.782 -24.068 1.00 0.00 N ATOM 696 CA SER A 57 12.498 14.676 -24.488 1.00 0.00 C ATOM 697 C SER A 57 13.122 16.066 -24.606 1.00 0.00 C ATOM 698 O SER A 57 14.337 16.213 -24.760 1.00 0.00 O ATOM 699 CB SER A 57 12.585 13.941 -25.823 1.00 0.00 C ATOM 700 OG SER A 57 11.905 12.695 -25.763 1.00 0.00 O ATOM 0 H SER A 57 10.446 14.874 -24.836 1.00 0.00 H new ATOM 0 HA SER A 57 13.051 14.110 -23.739 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.153 14.558 -26.611 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.630 13.777 -26.084 1.00 0.00 H new ATOM 0 HG SER A 57 11.973 12.243 -26.630 1.00 0.00 H new ATOM 706 N GLY A 58 12.276 17.075 -24.510 1.00 0.00 N ATOM 707 CA GLY A 58 12.719 18.448 -24.597 1.00 0.00 C ATOM 708 C GLY A 58 12.500 19.146 -23.285 1.00 0.00 C ATOM 709 O GLY A 58 11.664 20.041 -23.175 1.00 0.00 O ATOM 0 H GLY A 58 11.272 16.965 -24.371 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.775 18.481 -24.863 1.00 0.00 H new ATOM 0 HA3 GLY A 58 12.175 18.964 -25.388 1.00 0.00 H new ATOM 713 N CYS A 59 13.232 18.714 -22.292 1.00 0.00 N ATOM 714 CA CYS A 59 13.094 19.220 -20.948 1.00 0.00 C ATOM 715 C CYS A 59 13.929 20.477 -20.727 1.00 0.00 C ATOM 716 O CYS A 59 15.075 20.562 -21.172 1.00 0.00 O ATOM 717 CB CYS A 59 13.475 18.126 -19.964 1.00 0.00 C ATOM 718 SG CYS A 59 13.748 18.692 -18.287 1.00 0.00 S ATOM 0 H CYS A 59 13.948 17.994 -22.392 1.00 0.00 H new ATOM 0 HA CYS A 59 12.055 19.506 -20.786 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.687 17.373 -19.955 1.00 0.00 H new ATOM 0 HB3 CYS A 59 14.381 17.635 -20.320 1.00 0.00 H new ATOM 723 N ASN A 60 13.348 21.444 -20.025 1.00 0.00 N ATOM 724 CA ASN A 60 14.011 22.722 -19.766 1.00 0.00 C ATOM 725 C ASN A 60 14.069 23.027 -18.278 1.00 0.00 C ATOM 726 O ASN A 60 14.251 24.176 -17.880 1.00 0.00 O ATOM 727 CB ASN A 60 13.275 23.858 -20.482 1.00 0.00 C ATOM 728 CG ASN A 60 13.375 23.774 -21.986 1.00 0.00 C ATOM 729 OD1 ASN A 60 12.544 23.152 -22.647 1.00 0.00 O ATOM 730 ND2 ASN A 60 14.380 24.408 -22.536 1.00 0.00 N ATOM 0 H ASN A 60 12.414 21.368 -19.622 1.00 0.00 H new ATOM 0 HA ASN A 60 15.030 22.644 -20.146 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.224 23.841 -20.192 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.682 24.813 -20.150 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.496 24.398 -23.549 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.047 24.912 -21.951 1.00 0.00 H new ATOM 737 N CYS A 61 13.920 22.004 -17.457 1.00 0.00 N ATOM 738 CA CYS A 61 13.924 22.184 -16.007 1.00 0.00 C ATOM 739 C CYS A 61 15.298 22.554 -15.462 1.00 0.00 C ATOM 740 O CYS A 61 16.256 22.746 -16.213 1.00 0.00 O ATOM 741 CB CYS A 61 13.399 20.944 -15.304 1.00 0.00 C ATOM 742 SG CYS A 61 11.615 20.804 -15.343 1.00 0.00 S ATOM 0 H CYS A 61 13.795 21.039 -17.763 1.00 0.00 H new ATOM 0 HA CYS A 61 13.258 23.022 -15.800 1.00 0.00 H new ATOM 0 HB2 CYS A 61 13.835 20.060 -15.769 1.00 0.00 H new ATOM 0 HB3 CYS A 61 13.732 20.956 -14.266 1.00 0.00 H new ATOM 747 N LYS A 62 15.382 22.643 -14.145 1.00 0.00 N ATOM 748 CA LYS A 62 16.603 23.038 -13.481 1.00 0.00 C ATOM 749 C LYS A 62 17.355 21.818 -12.980 1.00 0.00 C ATOM 750 O LYS A 62 18.287 21.349 -13.625 1.00 0.00 O ATOM 751 CB LYS A 62 16.288 23.966 -12.314 1.00 0.00 C ATOM 752 CG LYS A 62 15.517 25.221 -12.699 1.00 0.00 C ATOM 753 CD LYS A 62 16.338 26.478 -12.453 1.00 0.00 C ATOM 754 CE LYS A 62 17.600 26.503 -13.297 1.00 0.00 C ATOM 755 NZ LYS A 62 18.425 27.707 -13.023 1.00 0.00 N ATOM 0 H LYS A 62 14.607 22.444 -13.513 1.00 0.00 H new ATOM 0 HA LYS A 62 17.231 23.566 -14.199 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.712 23.414 -11.572 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.223 24.261 -11.837 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.237 25.169 -13.751 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.592 25.271 -12.125 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.733 27.357 -12.678 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.605 26.537 -11.398 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.188 25.607 -13.098 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.331 26.480 -14.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.277 27.687 -13.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.873 28.562 -13.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.703 27.716 -12.021 1.00 0.00 H new ATOM 769 N GLU A 63 16.932 21.298 -11.834 1.00 0.00 N ATOM 770 CA GLU A 63 17.556 20.123 -11.251 1.00 0.00 C ATOM 771 C GLU A 63 16.673 19.506 -10.178 1.00 0.00 C ATOM 772 O GLU A 63 16.623 18.307 -10.037 1.00 0.00 O ATOM 773 CB GLU A 63 18.929 20.452 -10.669 1.00 0.00 C ATOM 774 CG GLU A 63 20.058 19.637 -11.280 1.00 0.00 C ATOM 775 CD GLU A 63 19.827 18.141 -11.173 1.00 0.00 C ATOM 776 OE1 GLU A 63 20.234 17.542 -10.158 1.00 0.00 O ATOM 777 OE2 GLU A 63 19.259 17.558 -12.112 1.00 0.00 O ATOM 0 H GLU A 63 16.156 21.676 -11.290 1.00 0.00 H new ATOM 0 HA GLU A 63 17.686 19.398 -12.054 1.00 0.00 H new ATOM 0 HB2 GLU A 63 19.134 21.512 -10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 63 18.909 20.281 -9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 63 20.170 19.909 -12.330 1.00 0.00 H new ATOM 0 HG3 GLU A 63 20.994 19.892 -10.783 1.00 0.00 H new ATOM 784 N ASP A 64 15.973 20.324 -9.420 1.00 0.00 N ATOM 785 CA ASP A 64 15.105 19.786 -8.373 1.00 0.00 C ATOM 786 C ASP A 64 13.711 19.471 -8.919 1.00 0.00 C ATOM 787 O ASP A 64 12.710 20.001 -8.443 1.00 0.00 O ATOM 788 CB ASP A 64 14.995 20.743 -7.189 1.00 0.00 C ATOM 789 CG ASP A 64 14.806 19.993 -5.879 1.00 0.00 C ATOM 790 OD1 ASP A 64 13.698 19.476 -5.640 1.00 0.00 O ATOM 791 OD2 ASP A 64 15.769 19.912 -5.088 1.00 0.00 O ATOM 0 H ASP A 64 15.980 21.341 -9.499 1.00 0.00 H new ATOM 0 HA ASP A 64 15.562 18.860 -8.024 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.894 21.356 -7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.156 21.421 -7.345 1.00 0.00 H new ATOM 796 N CYS A 65 13.659 18.640 -9.939 1.00 0.00 N ATOM 797 CA CYS A 65 12.389 18.229 -10.522 1.00 0.00 C ATOM 798 C CYS A 65 11.988 16.865 -9.990 1.00 0.00 C ATOM 799 O CYS A 65 12.839 15.980 -9.829 1.00 0.00 O ATOM 800 CB CYS A 65 12.475 18.189 -12.050 1.00 0.00 C ATOM 801 SG CYS A 65 10.951 17.632 -12.863 1.00 0.00 S ATOM 0 H CYS A 65 14.481 18.233 -10.386 1.00 0.00 H new ATOM 0 HA CYS A 65 11.632 18.961 -10.240 1.00 0.00 H new ATOM 0 HB2 CYS A 65 12.726 19.185 -12.415 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.292 17.528 -12.340 1.00 0.00 H new ATOM 806 N ARG A 66 10.701 16.689 -9.716 1.00 0.00 N ATOM 807 CA ARG A 66 10.205 15.426 -9.195 1.00 0.00 C ATOM 808 C ARG A 66 9.279 14.750 -10.200 1.00 0.00 C ATOM 809 O ARG A 66 8.665 13.726 -9.905 1.00 0.00 O ATOM 810 CB ARG A 66 9.494 15.616 -7.839 1.00 0.00 C ATOM 811 CG ARG A 66 10.278 16.467 -6.839 1.00 0.00 C ATOM 812 CD ARG A 66 9.820 17.914 -6.884 1.00 0.00 C ATOM 813 NE ARG A 66 10.793 18.836 -6.346 1.00 0.00 N ATOM 814 CZ ARG A 66 10.497 20.058 -5.938 1.00 0.00 C ATOM 815 NH1 ARG A 66 9.226 20.470 -5.906 1.00 0.00 N ATOM 816 NH2 ARG A 66 11.460 20.862 -5.557 1.00 0.00 N ATOM 0 H ARG A 66 9.985 17.404 -9.846 1.00 0.00 H new ATOM 0 HA ARG A 66 11.065 14.777 -9.031 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.523 16.079 -8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.306 14.637 -7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.143 16.070 -5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.343 16.411 -7.064 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.602 18.187 -7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.889 18.011 -6.325 1.00 0.00 H new ATOM 0 HE ARG A 66 11.763 18.527 -6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.478 19.840 -6.197 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.004 21.414 -5.590 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.429 20.543 -5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.241 21.807 -5.241 1.00 0.00 H new ATOM 830 N CYS A 67 9.184 15.321 -11.394 1.00 0.00 N ATOM 831 CA CYS A 67 8.368 14.733 -12.437 1.00 0.00 C ATOM 832 C CYS A 67 9.151 13.649 -13.150 1.00 0.00 C ATOM 833 O CYS A 67 10.224 13.899 -13.700 1.00 0.00 O ATOM 834 CB CYS A 67 7.890 15.783 -13.442 1.00 0.00 C ATOM 835 SG CYS A 67 6.825 15.110 -14.750 1.00 0.00 S ATOM 0 H CYS A 67 9.659 16.184 -11.659 1.00 0.00 H new ATOM 0 HA CYS A 67 7.485 14.299 -11.968 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.346 16.563 -12.908 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.758 16.256 -13.900 1.00 0.00 H new ATOM 840 N GLN A 68 8.607 12.453 -13.151 1.00 0.00 N ATOM 841 CA GLN A 68 9.273 11.304 -13.749 1.00 0.00 C ATOM 842 C GLN A 68 8.988 11.209 -15.246 1.00 0.00 C ATOM 843 O GLN A 68 9.381 10.245 -15.898 1.00 0.00 O ATOM 844 CB GLN A 68 8.831 10.008 -13.054 1.00 0.00 C ATOM 845 CG GLN A 68 7.320 9.817 -13.026 1.00 0.00 C ATOM 846 CD GLN A 68 6.677 10.230 -11.709 1.00 0.00 C ATOM 847 OE1 GLN A 68 5.608 9.733 -11.354 1.00 0.00 O ATOM 848 NE2 GLN A 68 7.337 11.098 -10.957 1.00 0.00 N ATOM 0 H GLN A 68 7.697 12.244 -12.742 1.00 0.00 H new ATOM 0 HA GLN A 68 10.346 11.439 -13.614 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.287 9.159 -13.563 1.00 0.00 H new ATOM 0 HB3 GLN A 68 9.208 10.007 -12.031 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.874 10.395 -13.835 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.091 8.769 -13.219 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.220 11.489 -11.285 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.962 11.376 -10.050 1.00 0.00 H new ATOM 857 N SER A 69 8.316 12.209 -15.792 1.00 0.00 N ATOM 858 CA SER A 69 7.978 12.193 -17.194 1.00 0.00 C ATOM 859 C SER A 69 9.122 12.770 -18.008 1.00 0.00 C ATOM 860 O SER A 69 9.499 12.225 -19.048 1.00 0.00 O ATOM 861 CB SER A 69 6.681 12.980 -17.450 1.00 0.00 C ATOM 862 OG SER A 69 6.188 12.751 -18.762 1.00 0.00 O ATOM 0 H SER A 69 7.998 13.035 -15.284 1.00 0.00 H new ATOM 0 HA SER A 69 7.812 11.161 -17.502 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.926 12.688 -16.720 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.866 14.045 -17.310 1.00 0.00 H new ATOM 0 HG SER A 69 5.363 13.263 -18.895 1.00 0.00 H new ATOM 868 N CYS A 70 9.695 13.854 -17.523 1.00 0.00 N ATOM 869 CA CYS A 70 10.766 14.512 -18.232 1.00 0.00 C ATOM 870 C CYS A 70 12.134 14.192 -17.638 1.00 0.00 C ATOM 871 O CYS A 70 13.127 14.109 -18.366 1.00 0.00 O ATOM 872 CB CYS A 70 10.528 16.007 -18.251 1.00 0.00 C ATOM 873 SG CYS A 70 10.382 16.758 -16.613 1.00 0.00 S ATOM 0 H CYS A 70 9.434 14.295 -16.641 1.00 0.00 H new ATOM 0 HA CYS A 70 10.769 14.133 -19.254 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.348 16.487 -18.786 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.617 16.211 -18.814 1.00 0.00 H new ATOM 878 N SER A 71 12.186 14.011 -16.321 1.00 0.00 N ATOM 879 CA SER A 71 13.438 13.702 -15.643 1.00 0.00 C ATOM 880 C SER A 71 13.994 12.353 -16.093 1.00 0.00 C ATOM 881 O SER A 71 13.249 11.494 -16.586 1.00 0.00 O ATOM 882 CB SER A 71 13.243 13.713 -14.127 1.00 0.00 C ATOM 883 OG SER A 71 12.822 14.994 -13.676 1.00 0.00 O ATOM 0 H SER A 71 11.376 14.073 -15.704 1.00 0.00 H new ATOM 0 HA SER A 71 14.161 14.473 -15.912 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.503 12.964 -13.847 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.176 13.439 -13.635 1.00 0.00 H new ATOM 0 HG SER A 71 11.849 14.996 -13.558 1.00 0.00 H new ATOM 889 N THR A 72 15.299 12.179 -15.928 1.00 0.00 N ATOM 890 CA THR A 72 15.965 10.948 -16.314 1.00 0.00 C ATOM 891 C THR A 72 15.419 9.753 -15.543 1.00 0.00 C ATOM 892 O THR A 72 15.103 9.847 -14.347 1.00 0.00 O ATOM 893 CB THR A 72 17.511 11.049 -16.153 1.00 0.00 C ATOM 894 OG1 THR A 72 18.148 9.868 -16.661 1.00 0.00 O ATOM 895 CG2 THR A 72 17.903 11.242 -14.695 1.00 0.00 C ATOM 0 H THR A 72 15.919 12.882 -15.526 1.00 0.00 H new ATOM 0 HA THR A 72 15.753 10.793 -17.372 1.00 0.00 H new ATOM 0 HB THR A 72 17.843 11.917 -16.723 1.00 0.00 H new ATOM 0 HG1 THR A 72 19.119 9.948 -16.554 1.00 0.00 H new ATOM 0 HG21 THR A 72 18.988 11.309 -14.616 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.454 12.160 -14.316 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.548 10.395 -14.108 1.00 0.00 H new ATOM 903 N ALA A 73 15.289 8.646 -16.244 1.00 0.00 N ATOM 904 CA ALA A 73 14.769 7.430 -15.680 1.00 0.00 C ATOM 905 C ALA A 73 15.740 6.825 -14.686 1.00 0.00 C ATOM 906 O ALA A 73 16.903 6.576 -15.010 1.00 0.00 O ATOM 907 CB ALA A 73 14.461 6.440 -16.788 1.00 0.00 C ATOM 0 H ALA A 73 15.545 8.570 -17.228 1.00 0.00 H new ATOM 0 HA ALA A 73 13.850 7.667 -15.144 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.067 5.520 -16.355 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.721 6.869 -17.464 1.00 0.00 H new ATOM 0 HB3 ALA A 73 15.373 6.219 -17.342 1.00 0.00 H new ATOM 913 N CYS A 74 15.261 6.628 -13.467 1.00 0.00 N ATOM 914 CA CYS A 74 16.046 5.988 -12.408 1.00 0.00 C ATOM 915 C CYS A 74 16.652 4.672 -12.873 1.00 0.00 C ATOM 916 O CYS A 74 16.023 3.907 -13.608 1.00 0.00 O ATOM 917 CB CYS A 74 15.187 5.736 -11.164 1.00 0.00 C ATOM 918 SG CYS A 74 15.295 7.025 -9.910 1.00 0.00 S ATOM 0 H CYS A 74 14.322 6.904 -13.179 1.00 0.00 H new ATOM 0 HA CYS A 74 16.855 6.675 -12.157 1.00 0.00 H new ATOM 0 HB2 CYS A 74 14.146 5.632 -11.471 1.00 0.00 H new ATOM 0 HB3 CYS A 74 15.485 4.787 -10.718 1.00 0.00 H new ATOM 923 N LYS A 75 17.864 4.411 -12.424 1.00 0.00 N ATOM 924 CA LYS A 75 18.583 3.179 -12.766 1.00 0.00 C ATOM 925 C LYS A 75 18.154 2.028 -11.867 1.00 0.00 C ATOM 926 O LYS A 75 18.857 1.020 -11.747 1.00 0.00 O ATOM 927 CB LYS A 75 20.092 3.390 -12.631 1.00 0.00 C ATOM 928 CG LYS A 75 20.710 4.200 -13.750 1.00 0.00 C ATOM 929 CD LYS A 75 20.612 3.464 -15.070 1.00 0.00 C ATOM 930 CE LYS A 75 21.269 4.245 -16.194 1.00 0.00 C ATOM 931 NZ LYS A 75 22.724 4.437 -15.961 1.00 0.00 N ATOM 0 H LYS A 75 18.385 5.039 -11.813 1.00 0.00 H new ATOM 0 HA LYS A 75 18.340 2.928 -13.799 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.294 3.889 -11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.581 2.417 -12.590 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.206 5.163 -13.828 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.756 4.405 -13.521 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.087 2.487 -14.979 1.00 0.00 H new ATOM 0 HD3 LYS A 75 19.564 3.288 -15.312 1.00 0.00 H new ATOM 0 HE2 LYS A 75 21.119 3.719 -17.137 1.00 0.00 H new ATOM 0 HE3 LYS A 75 20.786 5.217 -16.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.177 4.757 -16.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.865 5.152 -15.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.149 3.537 -15.660 1.00 0.00 H new ATOM 945 N CYS A 76 17.009 2.167 -11.254 1.00 0.00 N ATOM 946 CA CYS A 76 16.533 1.171 -10.342 1.00 0.00 C ATOM 947 C CYS A 76 15.673 0.140 -11.053 1.00 0.00 C ATOM 948 O CYS A 76 14.882 0.478 -11.936 1.00 0.00 O ATOM 949 CB CYS A 76 15.737 1.822 -9.227 1.00 0.00 C ATOM 950 SG CYS A 76 16.472 3.331 -8.594 1.00 0.00 S ATOM 0 H CYS A 76 16.388 2.967 -11.373 1.00 0.00 H new ATOM 0 HA CYS A 76 17.399 0.662 -9.920 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.734 2.043 -9.591 1.00 0.00 H new ATOM 0 HB3 CYS A 76 15.629 1.111 -8.408 1.00 0.00 H new ATOM 955 N ALA A 77 15.843 -1.113 -10.656 1.00 0.00 N ATOM 956 CA ALA A 77 15.084 -2.229 -11.191 1.00 0.00 C ATOM 957 C ALA A 77 15.461 -3.500 -10.448 1.00 0.00 C ATOM 958 O ALA A 77 16.628 -3.690 -10.105 1.00 0.00 O ATOM 959 CB ALA A 77 15.348 -2.397 -12.681 1.00 0.00 C ATOM 0 H ALA A 77 16.521 -1.384 -9.944 1.00 0.00 H new ATOM 0 HA ALA A 77 14.021 -2.029 -11.055 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.769 -3.239 -13.060 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.055 -1.488 -13.207 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.409 -2.584 -12.844 1.00 0.00 H new ATOM 965 N ALA A 78 14.467 -4.337 -10.168 1.00 0.00 N ATOM 966 CA ALA A 78 14.675 -5.625 -9.497 1.00 0.00 C ATOM 967 C ALA A 78 15.375 -5.464 -8.143 1.00 0.00 C ATOM 968 O ALA A 78 16.322 -6.189 -7.829 1.00 0.00 O ATOM 969 CB ALA A 78 15.460 -6.568 -10.399 1.00 0.00 C ATOM 0 H ALA A 78 13.492 -4.145 -10.398 1.00 0.00 H new ATOM 0 HA ALA A 78 13.693 -6.055 -9.300 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.608 -7.520 -9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.906 -6.733 -11.323 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.429 -6.127 -10.631 1.00 0.00 H new ATOM 975 N GLY A 79 14.889 -4.533 -7.342 1.00 0.00 N ATOM 976 CA GLY A 79 15.472 -4.301 -6.034 1.00 0.00 C ATOM 977 C GLY A 79 16.837 -3.656 -6.117 1.00 0.00 C ATOM 978 O GLY A 79 17.821 -4.204 -5.628 1.00 0.00 O ATOM 0 H GLY A 79 14.099 -3.930 -7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.807 -3.664 -5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.553 -5.249 -5.502 1.00 0.00 H new ATOM 982 N SER A 80 16.899 -2.485 -6.723 1.00 0.00 N ATOM 983 CA SER A 80 18.160 -1.797 -6.889 1.00 0.00 C ATOM 984 C SER A 80 18.043 -0.321 -6.483 1.00 0.00 C ATOM 985 O SER A 80 18.861 0.510 -6.880 1.00 0.00 O ATOM 986 CB SER A 80 18.626 -1.921 -8.345 1.00 0.00 C ATOM 987 OG SER A 80 19.954 -1.466 -8.513 1.00 0.00 O ATOM 0 H SER A 80 16.092 -1.994 -7.107 1.00 0.00 H new ATOM 0 HA SER A 80 18.899 -2.261 -6.236 1.00 0.00 H new ATOM 0 HB2 SER A 80 18.556 -2.962 -8.661 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.961 -1.346 -8.989 1.00 0.00 H new ATOM 0 HG SER A 80 20.081 -0.635 -8.010 1.00 0.00 H new ATOM 993 N CYS A 81 17.034 0.001 -5.685 1.00 0.00 N ATOM 994 CA CYS A 81 16.854 1.367 -5.228 1.00 0.00 C ATOM 995 C CYS A 81 17.766 1.635 -4.042 1.00 0.00 C ATOM 996 O CYS A 81 18.040 0.733 -3.239 1.00 0.00 O ATOM 997 CB CYS A 81 15.407 1.620 -4.836 1.00 0.00 C ATOM 998 SG CYS A 81 15.041 3.348 -4.478 1.00 0.00 S ATOM 0 H CYS A 81 16.335 -0.660 -5.345 1.00 0.00 H new ATOM 0 HA CYS A 81 17.111 2.042 -6.044 1.00 0.00 H new ATOM 0 HB2 CYS A 81 14.757 1.280 -5.643 1.00 0.00 H new ATOM 0 HB3 CYS A 81 15.168 1.018 -3.959 1.00 0.00 H new ATOM 1003 N LYS A 82 18.237 2.861 -3.926 1.00 0.00 N ATOM 1004 CA LYS A 82 19.143 3.216 -2.851 1.00 0.00 C ATOM 1005 C LYS A 82 18.857 4.613 -2.305 1.00 0.00 C ATOM 1006 O LYS A 82 19.717 5.224 -1.679 1.00 0.00 O ATOM 1007 CB LYS A 82 20.613 3.109 -3.309 1.00 0.00 C ATOM 1008 CG LYS A 82 20.957 3.920 -4.557 1.00 0.00 C ATOM 1009 CD LYS A 82 20.685 3.143 -5.847 1.00 0.00 C ATOM 1010 CE LYS A 82 21.871 2.267 -6.263 1.00 0.00 C ATOM 1011 NZ LYS A 82 22.107 1.135 -5.332 1.00 0.00 N ATOM 0 H LYS A 82 18.008 3.626 -4.561 1.00 0.00 H new ATOM 0 HA LYS A 82 18.977 2.503 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.258 3.434 -2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 82 20.844 2.061 -3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.375 4.842 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 82 22.008 4.207 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.804 2.516 -5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.456 3.845 -6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.694 1.876 -7.265 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.770 2.882 -6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.669 0.403 -5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.623 1.475 -4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.195 0.733 -5.036 1.00 0.00 H new ATOM 1025 N CYS A 83 17.649 5.116 -2.531 1.00 0.00 N ATOM 1026 CA CYS A 83 17.296 6.432 -2.020 1.00 0.00 C ATOM 1027 C CYS A 83 16.650 6.309 -0.652 1.00 0.00 C ATOM 1028 O CYS A 83 16.821 7.174 0.212 1.00 0.00 O ATOM 1029 CB CYS A 83 16.360 7.173 -2.979 1.00 0.00 C ATOM 1030 SG CYS A 83 14.657 6.554 -3.014 1.00 0.00 S ATOM 0 H CYS A 83 16.912 4.643 -3.054 1.00 0.00 H new ATOM 0 HA CYS A 83 18.215 7.012 -1.932 1.00 0.00 H new ATOM 0 HB2 CYS A 83 16.342 8.228 -2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 83 16.774 7.113 -3.986 1.00 0.00 H new ATOM 1035 N GLY A 84 15.918 5.223 -0.459 1.00 0.00 N ATOM 1036 CA GLY A 84 15.254 4.996 0.805 1.00 0.00 C ATOM 1037 C GLY A 84 13.787 4.679 0.628 1.00 0.00 C ATOM 1038 O GLY A 84 13.157 4.101 1.516 1.00 0.00 O ATOM 0 H GLY A 84 15.772 4.494 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.742 4.173 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.360 5.880 1.434 1.00 0.00 H new ATOM 1042 N LYS A 85 13.238 5.057 -0.518 1.00 0.00 N ATOM 1043 CA LYS A 85 11.830 4.799 -0.812 1.00 0.00 C ATOM 1044 C LYS A 85 11.653 3.399 -1.338 1.00 0.00 C ATOM 1045 O LYS A 85 10.712 2.695 -0.969 1.00 0.00 O ATOM 1046 CB LYS A 85 11.304 5.788 -1.848 1.00 0.00 C ATOM 1047 CG LYS A 85 11.500 7.233 -1.468 1.00 0.00 C ATOM 1048 CD LYS A 85 10.761 7.579 -0.193 1.00 0.00 C ATOM 1049 CE LYS A 85 11.091 8.984 0.239 1.00 0.00 C ATOM 1050 NZ LYS A 85 10.320 9.394 1.434 1.00 0.00 N ATOM 0 H LYS A 85 13.743 5.543 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 85 11.268 4.917 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.803 5.602 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.241 5.605 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.563 7.435 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.150 7.873 -2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.687 7.483 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.032 6.876 0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.157 9.056 0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.884 9.673 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.578 10.367 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.303 9.351 1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.537 8.753 2.224 1.00 0.00 H new ATOM 1064 N GLY A 86 12.554 3.008 -2.207 1.00 0.00 N ATOM 1065 CA GLY A 86 12.480 1.698 -2.804 1.00 0.00 C ATOM 1066 C GLY A 86 11.502 1.667 -3.954 1.00 0.00 C ATOM 1067 O GLY A 86 10.583 0.850 -3.976 1.00 0.00 O ATOM 0 H GLY A 86 13.343 3.576 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.468 1.402 -3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.180 0.970 -2.050 1.00 0.00 H new ATOM 1071 N CYS A 87 11.691 2.563 -4.913 1.00 0.00 N ATOM 1072 CA CYS A 87 10.795 2.646 -6.054 1.00 0.00 C ATOM 1073 C CYS A 87 11.094 1.549 -7.067 1.00 0.00 C ATOM 1074 O CYS A 87 10.181 0.981 -7.665 1.00 0.00 O ATOM 1075 CB CYS A 87 10.878 4.023 -6.704 1.00 0.00 C ATOM 1076 SG CYS A 87 12.534 4.510 -7.263 1.00 0.00 S ATOM 0 H CYS A 87 12.454 3.240 -4.922 1.00 0.00 H new ATOM 0 HA CYS A 87 9.777 2.499 -5.694 1.00 0.00 H new ATOM 0 HB2 CYS A 87 10.201 4.046 -7.558 1.00 0.00 H new ATOM 0 HB3 CYS A 87 10.518 4.766 -5.992 1.00 0.00 H new ATOM 1081 N THR A 88 12.384 1.252 -7.242 1.00 0.00 N ATOM 1082 CA THR A 88 12.860 0.192 -8.147 1.00 0.00 C ATOM 1083 C THR A 88 12.309 0.332 -9.563 1.00 0.00 C ATOM 1084 O THR A 88 11.877 -0.644 -10.171 1.00 0.00 O ATOM 1085 CB THR A 88 12.570 -1.230 -7.594 1.00 0.00 C ATOM 1086 OG1 THR A 88 11.170 -1.398 -7.309 1.00 0.00 O ATOM 1087 CG2 THR A 88 13.368 -1.469 -6.333 1.00 0.00 C ATOM 0 H THR A 88 13.137 1.742 -6.758 1.00 0.00 H new ATOM 0 HA THR A 88 13.941 0.321 -8.200 1.00 0.00 H new ATOM 0 HB THR A 88 12.861 -1.952 -8.357 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.660 -0.679 -7.738 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.158 -2.469 -5.953 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.432 -1.381 -6.554 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.091 -0.730 -5.581 1.00 0.00 H new ATOM 1095 N GLY A 89 12.358 1.541 -10.085 1.00 0.00 N ATOM 1096 CA GLY A 89 11.860 1.784 -11.422 1.00 0.00 C ATOM 1097 C GLY A 89 11.344 3.194 -11.589 1.00 0.00 C ATOM 1098 O GLY A 89 10.715 3.733 -10.679 1.00 0.00 O ATOM 0 H GLY A 89 12.733 2.362 -9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.656 1.602 -12.144 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.061 1.077 -11.645 1.00 0.00 H new ATOM 1102 N PRO A 90 11.574 3.816 -12.760 1.00 0.00 N ATOM 1103 CA PRO A 90 11.171 5.211 -13.015 1.00 0.00 C ATOM 1104 C PRO A 90 9.654 5.398 -13.105 1.00 0.00 C ATOM 1105 O PRO A 90 9.158 6.514 -13.021 1.00 0.00 O ATOM 1106 CB PRO A 90 11.821 5.518 -14.366 1.00 0.00 C ATOM 1107 CG PRO A 90 11.936 4.190 -15.034 1.00 0.00 C ATOM 1108 CD PRO A 90 12.243 3.213 -13.940 1.00 0.00 C ATOM 0 HA PRO A 90 11.480 5.869 -12.203 1.00 0.00 H new ATOM 0 HB2 PRO A 90 11.212 6.206 -14.952 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.798 5.985 -14.240 1.00 0.00 H new ATOM 0 HG2 PRO A 90 11.010 3.927 -15.546 1.00 0.00 H new ATOM 0 HG3 PRO A 90 12.725 4.197 -15.786 1.00 0.00 H new ATOM 0 HD2 PRO A 90 11.852 2.220 -14.163 1.00 0.00 H new ATOM 0 HD3 PRO A 90 13.316 3.105 -13.784 1.00 0.00 H new ATOM 1116 N ASP A 91 8.927 4.308 -13.276 1.00 0.00 N ATOM 1117 CA ASP A 91 7.478 4.383 -13.385 1.00 0.00 C ATOM 1118 C ASP A 91 6.825 4.231 -12.027 1.00 0.00 C ATOM 1119 O ASP A 91 5.670 4.615 -11.832 1.00 0.00 O ATOM 1120 CB ASP A 91 6.943 3.305 -14.332 1.00 0.00 C ATOM 1121 CG ASP A 91 7.380 3.503 -15.762 1.00 0.00 C ATOM 1122 OD1 ASP A 91 8.258 2.752 -16.234 1.00 0.00 O ATOM 1123 OD2 ASP A 91 6.847 4.407 -16.429 1.00 0.00 O ATOM 0 H ASP A 91 9.311 3.366 -13.342 1.00 0.00 H new ATOM 0 HA ASP A 91 7.231 5.364 -13.790 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.280 2.327 -13.987 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.854 3.300 -14.289 1.00 0.00 H new ATOM 1128 N SER A 92 7.570 3.695 -11.084 1.00 0.00 N ATOM 1129 CA SER A 92 7.048 3.430 -9.764 1.00 0.00 C ATOM 1130 C SER A 92 7.534 4.472 -8.766 1.00 0.00 C ATOM 1131 O SER A 92 7.155 4.444 -7.591 1.00 0.00 O ATOM 1132 CB SER A 92 7.465 2.022 -9.317 1.00 0.00 C ATOM 1133 OG SER A 92 6.897 1.680 -8.061 1.00 0.00 O ATOM 0 H SER A 92 8.548 3.433 -11.211 1.00 0.00 H new ATOM 0 HA SER A 92 5.960 3.486 -9.801 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.154 1.295 -10.067 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.552 1.968 -9.252 1.00 0.00 H new ATOM 0 HG SER A 92 6.821 2.484 -7.507 1.00 0.00 H new ATOM 1139 N CYS A 93 8.358 5.393 -9.225 1.00 0.00 N ATOM 1140 CA CYS A 93 8.897 6.399 -8.345 1.00 0.00 C ATOM 1141 C CYS A 93 8.181 7.717 -8.522 1.00 0.00 C ATOM 1142 O CYS A 93 7.501 7.939 -9.528 1.00 0.00 O ATOM 1143 CB CYS A 93 10.380 6.601 -8.601 1.00 0.00 C ATOM 1144 SG CYS A 93 10.749 7.602 -10.036 1.00 0.00 S ATOM 0 H CYS A 93 8.664 5.462 -10.195 1.00 0.00 H new ATOM 0 HA CYS A 93 8.750 6.048 -7.323 1.00 0.00 H new ATOM 0 HB2 CYS A 93 10.828 7.066 -7.723 1.00 0.00 H new ATOM 0 HB3 CYS A 93 10.852 5.626 -8.721 1.00 0.00 H new ATOM 1149 N LYS A 94 8.318 8.570 -7.528 1.00 0.00 N ATOM 1150 CA LYS A 94 7.773 9.913 -7.553 1.00 0.00 C ATOM 1151 C LYS A 94 8.678 10.837 -6.762 1.00 0.00 C ATOM 1152 O LYS A 94 8.250 11.876 -6.256 1.00 0.00 O ATOM 1153 CB LYS A 94 6.345 9.930 -6.999 1.00 0.00 C ATOM 1154 CG LYS A 94 5.325 9.377 -7.980 1.00 0.00 C ATOM 1155 CD LYS A 94 3.975 9.134 -7.342 1.00 0.00 C ATOM 1156 CE LYS A 94 4.018 7.978 -6.354 1.00 0.00 C ATOM 1157 NZ LYS A 94 4.561 6.738 -6.973 1.00 0.00 N ATOM 0 H LYS A 94 8.818 8.347 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 94 7.726 10.263 -8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.310 9.347 -6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.074 10.953 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.210 10.074 -8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.698 8.442 -8.398 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.647 10.038 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.239 8.922 -8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.633 8.255 -5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.014 7.786 -5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.299 5.916 -6.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.167 6.626 -7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.597 6.804 -7.032 1.00 0.00 H new ATOM 1171 N CYS A 95 9.939 10.445 -6.665 1.00 0.00 N ATOM 1172 CA CYS A 95 10.937 11.225 -5.967 1.00 0.00 C ATOM 1173 C CYS A 95 11.585 12.199 -6.938 1.00 0.00 C ATOM 1174 O CYS A 95 11.179 12.286 -8.105 1.00 0.00 O ATOM 1175 CB CYS A 95 11.992 10.301 -5.333 1.00 0.00 C ATOM 1176 SG CYS A 95 12.782 9.150 -6.487 1.00 0.00 S ATOM 0 H CYS A 95 10.294 9.578 -7.069 1.00 0.00 H new ATOM 0 HA CYS A 95 10.460 11.789 -5.165 1.00 0.00 H new ATOM 0 HB2 CYS A 95 12.763 10.917 -4.870 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.520 9.728 -4.535 1.00 0.00 H new ATOM 1181 N ASP A 96 12.578 12.931 -6.484 1.00 0.00 N ATOM 1182 CA ASP A 96 13.222 13.892 -7.346 1.00 0.00 C ATOM 1183 C ASP A 96 14.318 13.241 -8.170 1.00 0.00 C ATOM 1184 O ASP A 96 14.588 12.043 -8.055 1.00 0.00 O ATOM 1185 CB ASP A 96 13.757 15.099 -6.567 1.00 0.00 C ATOM 1186 CG ASP A 96 15.088 14.853 -5.906 1.00 0.00 C ATOM 1187 OD1 ASP A 96 15.177 13.976 -5.031 1.00 0.00 O ATOM 1188 OD2 ASP A 96 16.049 15.551 -6.258 1.00 0.00 O ATOM 0 H ASP A 96 12.952 12.880 -5.536 1.00 0.00 H new ATOM 0 HA ASP A 96 12.462 14.267 -8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.850 15.946 -7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.030 15.380 -5.805 1.00 0.00 H new ATOM 1193 N ARG A 97 14.935 14.020 -9.005 1.00 0.00 N ATOM 1194 CA ARG A 97 15.950 13.512 -9.908 1.00 0.00 C ATOM 1195 C ARG A 97 17.350 13.684 -9.344 1.00 0.00 C ATOM 1196 O ARG A 97 18.312 13.170 -9.900 1.00 0.00 O ATOM 1197 CB ARG A 97 15.864 14.229 -11.223 1.00 0.00 C ATOM 1198 CG ARG A 97 16.056 15.703 -11.070 1.00 0.00 C ATOM 1199 CD ARG A 97 16.427 16.348 -12.360 1.00 0.00 C ATOM 1200 NE ARG A 97 15.314 16.388 -13.321 1.00 0.00 N ATOM 1201 CZ ARG A 97 15.402 16.912 -14.555 1.00 0.00 C ATOM 1202 NH1 ARG A 97 16.568 17.376 -15.001 1.00 0.00 N ATOM 1203 NH2 ARG A 97 14.324 16.959 -15.342 1.00 0.00 N ATOM 0 H ARG A 97 14.759 15.021 -9.088 1.00 0.00 H new ATOM 0 HA ARG A 97 15.764 12.446 -10.041 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.620 13.833 -11.902 1.00 0.00 H new ATOM 0 HB3 ARG A 97 14.893 14.035 -11.679 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.138 16.152 -10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 97 16.834 15.894 -10.331 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.770 17.364 -12.167 1.00 0.00 H new ATOM 0 HD3 ARG A 97 17.264 15.808 -12.803 1.00 0.00 H new ATOM 0 HE ARG A 97 14.419 15.993 -13.032 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.395 17.334 -14.406 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.634 17.774 -15.938 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.431 16.597 -15.007 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.393 17.357 -16.278 1.00 0.00 H new ATOM 1217 N SER A 98 17.460 14.407 -8.270 1.00 0.00 N ATOM 1218 CA SER A 98 18.736 14.644 -7.654 1.00 0.00 C ATOM 1219 C SER A 98 18.839 13.785 -6.400 1.00 0.00 C ATOM 1220 O SER A 98 19.619 14.063 -5.485 1.00 0.00 O ATOM 1221 CB SER A 98 18.864 16.130 -7.319 1.00 0.00 C ATOM 1222 OG SER A 98 20.121 16.648 -7.732 1.00 0.00 O ATOM 0 H SER A 98 16.672 14.849 -7.796 1.00 0.00 H new ATOM 0 HA SER A 98 19.548 14.376 -8.330 1.00 0.00 H new ATOM 0 HB2 SER A 98 18.062 16.685 -7.806 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.744 16.274 -6.245 1.00 0.00 H new ATOM 0 HG SER A 98 20.171 16.644 -8.711 1.00 0.00 H new ATOM 1228 N CYS A 99 18.055 12.714 -6.391 1.00 0.00 N ATOM 1229 CA CYS A 99 17.999 11.805 -5.274 1.00 0.00 C ATOM 1230 C CYS A 99 19.209 10.866 -5.297 1.00 0.00 C ATOM 1231 O CYS A 99 19.968 10.846 -6.271 1.00 0.00 O ATOM 1232 CB CYS A 99 16.689 11.014 -5.318 1.00 0.00 C ATOM 1233 SG CYS A 99 16.051 10.544 -3.697 1.00 0.00 S ATOM 0 H CYS A 99 17.442 12.459 -7.165 1.00 0.00 H new ATOM 0 HA CYS A 99 18.030 12.372 -4.344 1.00 0.00 H new ATOM 0 HB2 CYS A 99 15.936 11.610 -5.833 1.00 0.00 H new ATOM 0 HB3 CYS A 99 16.842 10.112 -5.911 1.00 0.00 H new ATOM 1238 N SER A 100 19.373 10.081 -4.242 1.00 0.00 N ATOM 1239 CA SER A 100 20.538 9.210 -4.105 1.00 0.00 C ATOM 1240 C SER A 100 20.546 8.062 -5.133 1.00 0.00 C ATOM 1241 O SER A 100 21.594 7.480 -5.407 1.00 0.00 O ATOM 1242 CB SER A 100 20.626 8.652 -2.675 1.00 0.00 C ATOM 1243 OG SER A 100 21.829 7.922 -2.477 1.00 0.00 O ATOM 0 H SER A 100 18.714 10.027 -3.465 1.00 0.00 H new ATOM 0 HA SER A 100 21.417 9.822 -4.307 1.00 0.00 H new ATOM 0 HB2 SER A 100 20.574 9.472 -1.959 1.00 0.00 H new ATOM 0 HB3 SER A 100 19.770 8.005 -2.482 1.00 0.00 H new ATOM 0 HG SER A 100 21.857 7.581 -1.559 1.00 0.00 H new ATOM 1249 N CYS A 101 19.396 7.743 -5.702 1.00 0.00 N ATOM 1250 CA CYS A 101 19.321 6.659 -6.673 1.00 0.00 C ATOM 1251 C CYS A 101 19.662 7.135 -8.089 1.00 0.00 C ATOM 1252 O CYS A 101 19.988 6.327 -8.964 1.00 0.00 O ATOM 1253 CB CYS A 101 17.946 6.003 -6.633 1.00 0.00 C ATOM 1254 SG CYS A 101 16.583 7.172 -6.597 1.00 0.00 S ATOM 0 H CYS A 101 18.510 8.211 -5.513 1.00 0.00 H new ATOM 0 HA CYS A 101 20.069 5.916 -6.397 1.00 0.00 H new ATOM 0 HB2 CYS A 101 17.836 5.359 -7.505 1.00 0.00 H new ATOM 0 HB3 CYS A 101 17.885 5.362 -5.753 1.00 0.00 H new ATOM 1259 N LYS A 102 19.611 8.442 -8.308 1.00 0.00 N ATOM 1260 CA LYS A 102 19.925 8.999 -9.616 1.00 0.00 C ATOM 1261 C LYS A 102 21.400 9.362 -9.713 1.00 0.00 C ATOM 1262 O LYS A 102 21.831 10.282 -8.960 1.00 0.00 O ATOM 1263 CB LYS A 102 19.053 10.206 -9.913 1.00 0.00 C ATOM 1264 CG LYS A 102 17.578 9.871 -9.956 1.00 0.00 C ATOM 1265 CD LYS A 102 16.908 10.417 -11.208 1.00 0.00 C ATOM 1266 CE LYS A 102 15.457 9.936 -11.292 1.00 0.00 C ATOM 1267 NZ LYS A 102 14.751 9.978 -9.964 1.00 0.00 N ATOM 0 H LYS A 102 19.357 9.132 -7.601 1.00 0.00 H new ATOM 0 HA LYS A 102 19.715 8.236 -10.365 1.00 0.00 H new ATOM 0 HB2 LYS A 102 19.225 10.968 -9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 102 19.351 10.636 -10.869 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.450 8.789 -9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.087 10.281 -9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.936 11.507 -11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.457 10.093 -12.092 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.915 10.555 -12.006 1.00 0.00 H new ATOM 0 HE3 LYS A 102 15.439 8.916 -11.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.749 10.214 -10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.824 9.049 -9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.192 10.700 -9.359 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 12.995 7.096 -8.452 1.00 0.00 CD HETATM 1283 CD CD A 202 15.118 4.593 -6.745 1.00 0.00 CD HETATM 1284 CD CD A 203 14.994 8.371 -4.968 1.00 0.00 CD HETATM 1285 CD CD A 204 7.850 17.138 -16.210 1.00 0.00 CD HETATM 1286 CD CD A 205 9.825 19.819 -13.716 1.00 0.00 CD HETATM 1287 CD CD A 206 11.365 19.078 -17.362 1.00 0.00 CD HETATM 1288 CD CD A 207 8.440 26.006 5.103 1.00 0.00 CD HETATM 1289 CD CD A 208 6.145 28.092 2.477 1.00 0.00 CD HETATM 1290 CD CD A 209 7.143 24.007 1.757 1.00 0.00 CD